1-bromo-5-(trifluoromethylsulfanyloxy)pentane

C6H10BrF3OS — CID 175058528

IUPAC1-bromo-5-(trifluoromethylsulfanyloxy)pentane
SMILESFC(F)(F)SOCCCCCBr
InChIInChI=1S/C6H10BrF3OS/c7-4-2-1-3-5-11-12-6(8,9)10/h1-5H2
InChIKeyUECAHXPWIKCVQS-UHFFFAOYSA-N
MW267.11 g/mol
LogP3.74
Rot. Bonds6

About 1-bromo-5-(trifluoromethylsulfanyloxy)pentane

1-bromo-5-(trifluoromethylsulfanyloxy)pentane (PubChem CID 175058528) has the molecular formula C6H10BrF3OS and a molecular weight of 267.11 g/mol. Its IUPAC name is 1-bromo-5-(trifluoromethylsulfanyloxy)pentane.

Molecular Properties

Compound Name1-bromo-5-(trifluoromethylsulfanyloxy)pentane
PubChem CID175058528
Molecular FormulaC6H10BrF3OS
Molecular Weight267.11 g/mol
Exact Mass265.96
IUPAC Name1-bromo-5-(trifluoromethylsulfanyloxy)pentane
SMILESFC(F)(F)SOCCCCCBr
InChIInChI=1S/C6H10BrF3OS/c7-4-2-1-3-5-11-12-6(8,9)10/h1-5H2
InChIKeyUECAHXPWIKCVQS-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(trifluoromethylsulfanyloxy)pentane?
The IUPAC name of 1-bromo-5-(trifluoromethylsulfanyloxy)pentane (CID 175058528) is 1-bromo-5-(trifluoromethylsulfanyloxy)pentane.
What is the SMILES notation for 1-bromo-5-(trifluoromethylsulfanyloxy)pentane?
The canonical SMILES for 1-bromo-5-(trifluoromethylsulfanyloxy)pentane is FC(F)(F)SOCCCCCBr.
What is the InChIKey of 1-bromo-5-(trifluoromethylsulfanyloxy)pentane?
The InChIKey is UECAHXPWIKCVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3OS/c7-4-2-1-3-5-11-12-6(8,9)10/h1-5H2.
What are the key properties of 1-bromo-5-(trifluoromethylsulfanyloxy)pentane?
1-bromo-5-(trifluoromethylsulfanyloxy)pentane has a molecular weight of 267.11 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(trifluoromethylsulfanyloxy)pentane is sourced from PubChem (CID 175058528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).